SCHEMBL4089331

SCHEMBL4089331

CCN(Cc1cc(-c2cccc(C)c2)on1)C(=S)NC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAOB P27338 1/20 0.37
NOTUM Q6P988 1/20 0.37
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 4/20 0.35
MAPK1 P28482 3/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2903372 0.88 ALDH1A1 (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1MAPK1
SCHEMBL4090803 0.80 MAPT (0.39) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL13871035 0.78 MEN1 (0.38) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL2904201 0.78 MEN1 (0.38) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL2904200 0.78 MEN1 (0.38) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL17922502 0.74 NOTUM (0.47) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL1545441 0.74 TP53 (0.51) RAB9ASMN1; SMN2ALDH1A1NPC1MAPK1
SCHEMBL4104166 0.73 RAB9A (0.46) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL2900829 0.73 NOTUM (0.68) MEN1KMT2ANOTUMRAB9ASMN1; SMN2
SCHEMBL4100659 0.72 GRM5 (0.37) MEN1KMT2AMAOBRAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 MEN1 4260/4885KMT2A 1682/4885MAOB 3493/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.